| CAS Number | 721960-44-7 |
| Catalog Number | AG00FLQK(AGN-PC-0WQYC8) |
| Chemical Name | 4-bromo-N-methoxy-N-methylthiophene-2-carboxamide |
| IUPAC Name | 4-bromo-N-methoxy-N-methylthiophene-2-carboxamide |
| InChI | InChI=1S/C7H8BrNO2S/c1-9(11-2)7(10)6-3-5(8)4-12-6/h3-4H,1-2H3 |
| InChI Key | OVCUDDZDUQAQAF-UHFFFAOYSA-N |
| MDL Number | MFCD11616719 |
| Molecular Formula | C7H8BrNO2S |
| Molecular Weight | 250.1129 |
| SMILES | CON(C)C(=O)c1cc(Br)cs1 |
| Synonyms | 4-bromo-N-methoxy-N-methylthiophene-2-carboxamide,
721960-44-7,
CTK9A2529,
KM1460,
MFCD11616719,
ZINC74938128,
AKOS026706117,
AS-43819,
F1903-0301,
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| Complexity | 179 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 248.946g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 12 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 0 |
| Isotope Atom Count | 0 |
| Molecular Weight | 250.11g/mol |
| Monoisotopic Mass | 248.946g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 57.8A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.1 |
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Certificate of Analysis
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